5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene

C127H182ClF18NO2S3 — CID 158440167

IUPAC5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
SMILESC.C.C.C.C.CC(C)(C)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)(C)c1cnc(F)c(F)c1.CC(C)c1cc(Cl)c(F)cc1F.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc2c(c(C(C)C)c1)CCCO2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F
InChIInChI=1S/C13H18O.2C11H16.C10H13F5OS.C10H13F5S.C10H12F2.2C10H13F.C10H14.C9H9ClF2.C9H11F2N.C9H14S.5CH4/c1-9(2)12-7-10(3)8-13-11(12)5-4-6-14-13;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)16-17(11,12,13,14)15;1-10(2,3)8-5-4-6-9(7-8)16(11,12,13,14)15;1-6(2)10-8(11)4-7(3)5-9(10)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7(10)9(12)4-8(6)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-6-8(10-7)9(2,3)4;;;;;/h7-9H,4-6H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;5-6H,1-4H3;5*1H4
InChIKeyHCSKMNURLWZJRN-UHFFFAOYSA-N
MW2228.48 g/mol
LogP47.21
Rot. Bonds9

About 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene

5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 158440167) has the molecular formula C127H182ClF18NO2S3 and a molecular weight of 2228.48 g/mol. Its IUPAC name is 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID158440167
Molecular FormulaC127H182ClF18NO2S3
Molecular Weight2228.48 g/mol
Exact Mass2226.27
IUPAC Name5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
SMILESC.C.C.C.C.CC(C)(C)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)(C)c1cnc(F)c(F)c1.CC(C)c1cc(Cl)c(F)cc1F.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc2c(c(C(C)C)c1)CCCO2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F
InChIInChI=1S/C13H18O.2C11H16.C10H13F5OS.C10H13F5S.C10H12F2.2C10H13F.C10H14.C9H9ClF2.C9H11F2N.C9H14S.5CH4/c1-9(2)12-7-10(3)8-13-11(12)5-4-6-14-13;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)16-17(11,12,13,14)15;1-10(2,3)8-5-4-6-9(7-8)16(11,12,13,14)15;1-6(2)10-8(11)4-7(3)5-9(10)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7(10)9(12)4-8(6)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-6-8(10-7)9(2,3)4;;;;;/h7-9H,4-6H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;5-6H,1-4H3;5*1H4
InChIKeyHCSKMNURLWZJRN-UHFFFAOYSA-N
XLogP47.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.48
LogP ≤ 547.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157480403
1-chloro-3-methyl-5-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-3-methyl-5-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;pentafluoro-(3-propan-2-ylphenyl)-lambda6-sulfane;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;4-propan-2-yl-3,4-dihydro-2H-chromene
CID 161746943
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);methane;2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 162100577
tert-butylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;5-tert-butyl-3-fluoro-2-methylpyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylthiophene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;methane;3-methyl-2-(4-methylphenyl)butan-1-ol;1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;pentafluoro-[3-methyl-2-(4-methylphenyl)butoxy]-lambda6-sulfane
CID 158706892
tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-lambda6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-lambda6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 158974387
1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene
CID 159297949
1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 159882898
tert-butylbenzene;5-tert-butyl-2,3-difluoropyridine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenyl)-pentafluoro-lambda6-sulfane;1-chloro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;7-fluoro-5-propan-2-yl-3,4-dihydro-2H-chromene;methane;1-methyl-4-propan-2-ylbenzene;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-lambda6-sulfane
CID 160045758
1-chloro-3-methyl-5-(2-methylpropyl)benzene;1,2-difluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;bis(1-fluoro-3-methyl-5-(2-methylpropyl)benzene);3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;1-methyl-4-(2-methylpentan-3-yl)benzene;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene;2-methylpropylbenzene
CID 160181847
1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;tris(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;trimethyl-[4-(2-methylpropyl)phenyl]silane
CID 160627486
1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-lambda6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
CID 160758770
1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene
CID 160791137

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene (CID 158440167) is 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene is C.C.C.C.C.CC(C)(C)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)(C)c1cnc(F)c(F)c1.CC(C)c1cc(Cl)c(F)cc1F.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc2c(c(C(C)C)c1)CCCO2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.
What is the InChIKey of 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is HCSKMNURLWZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.2C11H16.C10H13F5OS.C10H13F5S.C10H12F2.2C10H13F.C10H14.C9H9ClF2.C9H11F2N.C9H14S.5CH4/c1-9(2)12-7-10(3)8-13-11(12)5-4-6-14-13;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)16-17(11,12,13,14)15;1-10(2,3)8-5-4-6-9(7-8)16(11,12,13,14)15;1-6(2)10-8(11)4-7(3)5-9(10)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7(10)9(12)4-8(6)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-6-8(10-7)9(2,3)4;;;;;/h7-9H,4-6H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;5-6H,1-4H3;5*1H4.
What are the key properties of 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 2228.48 g/mol, XLogP of 47.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(3-tert-butylphenyl)-pentafluoro-λ6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 158440167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).